SpectraBase Spectrum ID |
EbyYpbuPM3X |
Name |
3-(4-Chlorobenzoyl)-1-phenyl-4H-pyrrolo[3,2-B]quinoxalin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
399.077454401 u |
Formula |
C23H14ClN3O2 |
InChI |
InChI=1S/C23H14ClN3O2/c24-15-12-10-14(11-13-15)21(28)19-20-22(26-18-9-5-4-8-17(18)25-20)27(23(19)29)16-6-2-1-3-7-16/h1-13,25H |
InChIKey |
VEIXZAPBHPGYJK-UHFFFAOYSA-N |
Molecular Weight |
399.837 g/mol |
SMILES |
C12=NC=3C=CC=CC3NC2=C(C(N1C=1C=CC=CC1)=O)C(C=1C=CC(=CC1)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909113 |